General Information of the Compound
Compound ID
CP0429455
Compound Name
N-(1-adamantyl)-5-(furan-2-yl)-1-pentylindole-3-carboxamide
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Structure
Formula
C28H34N2O2
Molecular Weight
430.592
Canonical SMILES
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(ccc12)-c1ccco1
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InChI
InChI=1S/C28H34N2O2/c1-2-3-4-9-30-18-24(23-14-22(7-8-25(23)30)26-6-5-10-32-26)27(31)29-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-8,10,14,18-21H,2-4,9,11-13,15-17H2,1H3,(H,29,31)
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InChIKey
YXQYTSDYWOYZGY-UHFFFAOYSA-N
Physicochemical Property
logP
6.7901
Rotatable Bonds
7
Heavy Atom Count
32
Polar Areas
47.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
32

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 60155189
ChEMBL ID
CHEMBL2087108
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 341.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 2.48 nM
   TI
   LI
   LO
   TS